13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C63H71N7O8S — CID 143427052

IUPAC13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCC1=C(C(=O)N2CCOCC2)Cn2c(c(C3CCC(C4CN(C(=O)C5=Cc6ccccc6-c6c(C7CCCCC7)c7ccc(C(=O)N(C)C)cc7n6C5)CCO4)CC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc32)-c2ccccc21
InChIInChI=1S/C63H71N7O8S/c1-39-47-16-11-12-18-49(47)59-57(50-25-23-44(60(71)64-79(75,76)66(4)5)34-53(50)70(59)37-52(39)63(74)67-27-30-77-31-28-67)42-21-19-40(20-22-42)55-38-68(29-32-78-55)62(73)46-33-43-15-9-10-17-48(43)58-56(41-13-7-6-8-14-41)51-26-24-45(61(72)65(2)3)35-54(51)69(58)36-46/h9-12,15-18,23-26,33-35,40-42,55H,6-8,13-14,19-22,27-32,36-38H2,1-5H3,(H,64,71)
InChIKeyNXHQMRFHILJJIP-UHFFFAOYSA-N
MW1086.37 g/mol
LogP9.46
Rot. Bonds9

About 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 143427052) has the molecular formula C63H71N7O8S and a molecular weight of 1086.37 g/mol. Its IUPAC name is 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

Compound Name13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
PubChem CID143427052
Molecular FormulaC63H71N7O8S
Molecular Weight1086.37 g/mol
Exact Mass1085.51
IUPAC Name13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCC1=C(C(=O)N2CCOCC2)Cn2c(c(C3CCC(C4CN(C(=O)C5=Cc6ccccc6-c6c(C7CCCCC7)c7ccc(C(=O)N(C)C)cc7n6C5)CCO4)CC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc32)-c2ccccc21
InChIInChI=1S/C63H71N7O8S/c1-39-47-16-11-12-18-49(47)59-57(50-25-23-44(60(71)64-79(75,76)66(4)5)34-53(50)70(59)37-52(39)63(74)67-27-30-77-31-28-67)42-21-19-40(20-22-42)55-38-68(29-32-78-55)62(73)46-33-43-15-9-10-17-48(43)58-56(41-13-7-6-8-14-41)51-26-24-45(61(72)65(2)3)35-54(51)69(58)36-46/h9-12,15-18,23-26,33-35,40-42,55H,6-8,13-14,19-22,27-32,36-38H2,1-5H3,(H,64,71)
InChIKeyNXHQMRFHILJJIP-UHFFFAOYSA-N
XLogP9.46
TPSA155.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.37
LogP ≤ 59.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide with MolForge

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Related Compounds

13-cyclohexyl-N-(dimethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 11657104
19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide
CID 16117125
(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide
CID 24739578
(8R,10S)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide
CID 24739580
28-Cyclohexyl-22-fluoro-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
CID 44608453
28-Cyclohexyl-22-fluoro-10,16,19-trimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
CID 44608451
29-Cyclohexyl-23-fluoro-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[17.8.1.12,6.13,27.021,26]triaconta-2,4,6(30),19,21(26),22,24,27(29)-octaene-7,18-dione
CID 71595361
13-cyclohexyl-6-(morpholine-4-carbonyl)-N-(trifluoromethylsulfonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16666571
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16666917
13-cyclohexyl-6-(4,4-difluoropiperidine-1-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16666918
13-cyclohexyl-6-(3,3-difluoropiperidine-1-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16666966
13-cyclohexyl-N-morpholin-4-ylsulfonyl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526401

Frequently Asked Questions

What is the IUPAC name of 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The IUPAC name of 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 143427052) is 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.
What is the SMILES notation for 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The canonical SMILES for 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is CC1=C(C(=O)N2CCOCC2)Cn2c(c(C3CCC(C4CN(C(=O)C5=Cc6ccccc6-c6c(C7CCCCC7)c7ccc(C(=O)N(C)C)cc7n6C5)CCO4)CC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc32)-c2ccccc21.
What is the InChIKey of 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The InChIKey is NXHQMRFHILJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H71N7O8S/c1-39-47-16-11-12-18-49(47)59-57(50-25-23-44(60(71)64-79(75,76)66(4)5)34-53(50)70(59)37-52(39)63(74)67-27-30-77-31-28-67)42-21-19-40(20-22-42)55-38-68(29-32-78-55)62(73)46-33-43-15-9-10-17-48(43)58-56(41-13-7-6-8-14-41)51-26-24-45(61(72)65(2)3)35-54(51)69(58)36-46/h9-12,15-18,23-26,33-35,40-42,55H,6-8,13-14,19-22,27-32,36-38H2,1-5H3,(H,64,71).
What are the key properties of 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 1086.37 g/mol, XLogP of 9.46, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-[4-[13-cyclohexyl-10-(dimethylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]morpholin-2-yl]cyclohexyl]-N-(dimethylsulfamoyl)-5-methyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 143427052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).